Sugar Binding in Lactose Permease: Anomeric State of a Disaccharide Influences Binding Structure

por Klauda, Jeffery B., Brooks, Bernard R.
Publicado em 2007

Investigating SARS-CoV-2 Orf7B Homodimerization by Molecular Dynamics Simulations

por Hsieh, Min-Kang, Klauda, Jeffery B.
Publicado no Biophys J (2021)

Effects of Spin-Labels on Membrane Burial Depth of MARCKS-ED Residues

por Qi, Yifei, Klauda, Jeffery B., Im, Wonpil
Publicado no Biophys J (2016)

The Role of Lipid Interactions in Simulations of the α-Hemolysin Ion-Channel-Forming Toxin

por Guros, Nicholas B., Balijepalli, Arvind, Klauda, Jeffery B.
Publicado no Biophys J (2018)

Microsecond-timescale simulations suggest 5-HT–mediated preactivation of the 5-HT(3A) serotonin receptor

por Guros, Nicholas B., Balijepalli, Arvind, Klauda, Jeffery B.
Publicado no Proc Natl Acad Sci U S A (2020)

Critical Sequence Hot-spots for Binding of nCOV-2019 to ACE2 as Evaluated by Molecular Simulations

por Ghorbani, Mahdi, Brooks, Bernard R., Klauda, Jeffery B.
Publicado no bioRxiv (2020)

Exploring dynamics and network analysis of spike glycoprotein of SARS-COV-2

por Ghorbani, Mahdi, Brooks, Bernard R., Klauda, Jeffery B.
Publicado no bioRxiv (2020)

Critical Sequence Hot-spots for Binding of nCOV-2019 to ACE2 as Evaluated by Molecular Simulations

por Ghorbani, Mahdi, Brooks, Bernard R., Klauda, Jeffery B.
Publicado no J Phys Chem B (2020)

An Integrative MD Simulation and Network Analysis Approach to Study Glycosylation of Spike in SARS-CoV-2

por Ghorbani, Mahdi, Brooks, Bernard R., Klauda, Jeffery B.
Publicado no Biophys J (2021)

Exploring dynamics and network analysis of spike glycoprotein of SARS-COV-2

por Ghorbani, Mahdi, Brooks, Bernard R., Klauda, Jeffery B.
Publicado no Biophys J (2021)

Adjacent Gauche Stabilization in Linear Alkanes: Implications for Polymer Models and Conformational Analysis

por Klauda, Jeffery B., Pastor, Richard W., Brooks, Bernard R.
Publicado em 2005

Dynamical Motions of Lipids and a Finite Size Effect in Simulations of Bilayers

por Klauda, Jeffery B., Brooks, Bernard R., Pastor, Richard W.
Publicado em 2006

Binding and Release of Cholesterol in the Osh4 Protein of Yeast

por Singh, Rishi P., Brooks, Bernard R., Klauda, Jeffery B.
Publicado em 2009

Probing the Periplasmic-open State of Lactose Permease in Response to Sugar Binding and Proton Translocation

por Pendse, Pushkar Y., Brooks, Bernard R., Klauda, Jeffery B.
Publicado em 2010

Parameterization of the CHARMM All-Atom Force Field for Ether Lipids and Model Linear Ethers

por Leonard, Alison N., Pastor, Richard W., Klauda, Jeffery B.
Publicado no J Phys Chem B (2018)

Molecular dynamics simulations of ethanol permeation through single and double-lipid bilayers

por Ghorbani, Mahdi, Wang, Eric, Krämer, Andreas, Klauda, Jeffery B.
Publicado no J Chem Phys (2020)

CHARMM-GUI Membrane Builder for Mixed Bilayers and Its Application to Yeast Membranes

por Jo, Sunhwan, Lim, Joseph B., Klauda, Jeffery B., Im, Wonpil
Publicado em 2009

How Tolerant are Membrane Simulations with Mismatch in Area per Lipid between Leaflets?

por Park, Soohyung, Beaven, Andrew H., Klauda, Jeffery B., Im, Wonpil
Publicado no J Chem Theory Comput (2015)

Long-Range Lennard-Jones and Electrostatic Interactions in Interfaces: Application of the Isotropic Periodic Sum Method

por Klauda, Jeffery B., Wu, Xiongwu, Pastor, Richard W., Brooks, Bernard R.
Publicado no J Phys Chem B (2007)

Simulation-Based Methods for Interpreting X-Ray Data from Lipid Bilayers

por Klauda, Jeffery B., Kučerka, Norbert, Brooks, Bernard R., Pastor, Richard W., Nagle, John F.
Publicado em 2006